2-(thiadiazol-5-ylcarbamoyl)benzoic acid

C10H7N3O3S — CID 114911802

IUPAC2-(thiadiazol-5-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cnns1
InChIInChI=1S/C10H7N3O3S/c14-9(12-8-5-11-13-17-8)6-3-1-2-4-7(6)10(15)16/h1-5H,(H,12,14)(H,15,16)
InChIKeyFSAFZTAMJPEDOH-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.49
Rot. Bonds3

About 2-(thiadiazol-5-ylcarbamoyl)benzoic acid

2-(thiadiazol-5-ylcarbamoyl)benzoic acid (PubChem CID 114911802) has the molecular formula C10H7N3O3S and a molecular weight of 249.25 g/mol. Its IUPAC name is 2-(thiadiazol-5-ylcarbamoyl)benzoic acid.

Molecular Properties

Compound Name2-(thiadiazol-5-ylcarbamoyl)benzoic acid
PubChem CID114911802
Molecular FormulaC10H7N3O3S
Molecular Weight249.25 g/mol
Exact Mass249.02
IUPAC Name2-(thiadiazol-5-ylcarbamoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)Nc1cnns1
InChIInChI=1S/C10H7N3O3S/c14-9(12-8-5-11-13-17-8)6-3-1-2-4-7(6)10(15)16/h1-5H,(H,12,14)(H,15,16)
InChIKeyFSAFZTAMJPEDOH-UHFFFAOYSA-N
XLogP1.49
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(thiadiazol-5-ylcarbamoyl)benzoic acid?
The IUPAC name of 2-(thiadiazol-5-ylcarbamoyl)benzoic acid (CID 114911802) is 2-(thiadiazol-5-ylcarbamoyl)benzoic acid.
What is the SMILES notation for 2-(thiadiazol-5-ylcarbamoyl)benzoic acid?
The canonical SMILES for 2-(thiadiazol-5-ylcarbamoyl)benzoic acid is O=C(O)c1ccccc1C(=O)Nc1cnns1.
What is the InChIKey of 2-(thiadiazol-5-ylcarbamoyl)benzoic acid?
The InChIKey is FSAFZTAMJPEDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3S/c14-9(12-8-5-11-13-17-8)6-3-1-2-4-7(6)10(15)16/h1-5H,(H,12,14)(H,15,16).
What are the key properties of 2-(thiadiazol-5-ylcarbamoyl)benzoic acid?
2-(thiadiazol-5-ylcarbamoyl)benzoic acid has a molecular weight of 249.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiadiazol-5-ylcarbamoyl)benzoic acid is sourced from PubChem (CID 114911802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).